(6Z,9Z)-pentacosa-6,9-diene

C25H48 — CID 56936115

IUPAC(6Z,9Z)-pentacosa-6,9-diene
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCCCCC
InChIInChI=1S/C25H48/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19H,3-10,12,14-16,18,20-25H2,1-2H3/b13-11-,19-17-
InChIKeyHEDSUJXTHUJEDT-OHNCOSGTSA-N
MW348.66 g/mol
LogP9.55
Rot. Bonds20

About (6Z,9Z)-pentacosa-6,9-diene

(6Z,9Z)-pentacosa-6,9-diene (PubChem CID 56936115) has the molecular formula C25H48 and a molecular weight of 348.66 g/mol. Its IUPAC name is (6Z,9Z)-pentacosa-6,9-diene.

Molecular Properties

Compound Name(6Z,9Z)-pentacosa-6,9-diene
PubChem CID56936115
Molecular FormulaC25H48
Molecular Weight348.66 g/mol
Exact Mass348.38
IUPAC Name(6Z,9Z)-pentacosa-6,9-diene
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCCCCC
InChIInChI=1S/C25H48/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19H,3-10,12,14-16,18,20-25H2,1-2H3/b13-11-,19-17-
InChIKeyHEDSUJXTHUJEDT-OHNCOSGTSA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.66
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
heptadeca-5,8,11-triene
CID 54101473
(5E,8E)-tetradeca-5,8-diene
CID 13430684
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
docosa-4,7,11-triene
CID 141035180
hexadeca-3,6,9-triene
CID 56627141
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
henicosa-3,6-diene
CID 72727393
(E)-hexacos-10-ene
CID 22172169
(Z)-docos-9-ene
CID 11690102

Frequently Asked Questions

What is the IUPAC name of (6Z,9Z)-pentacosa-6,9-diene?
The IUPAC name of (6Z,9Z)-pentacosa-6,9-diene (CID 56936115) is (6Z,9Z)-pentacosa-6,9-diene.
What is the SMILES notation for (6Z,9Z)-pentacosa-6,9-diene?
The canonical SMILES for (6Z,9Z)-pentacosa-6,9-diene is CCCCC/C=C\C/C=C\CCCCCCCCCCCCCCC.
What is the InChIKey of (6Z,9Z)-pentacosa-6,9-diene?
The InChIKey is HEDSUJXTHUJEDT-OHNCOSGTSA-N. The full InChI is InChI=1S/C25H48/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19H,3-10,12,14-16,18,20-25H2,1-2H3/b13-11-,19-17-.
What are the key properties of (6Z,9Z)-pentacosa-6,9-diene?
(6Z,9Z)-pentacosa-6,9-diene has a molecular weight of 348.66 g/mol, XLogP of 9.55, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z)-pentacosa-6,9-diene is sourced from PubChem (CID 56936115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).